7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

C20H25ClN2O — CID 11695887

IUPAC7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCCn1c(C)c(C)c2ccnc(COc3ccc(C)cc3C)c21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-6-22-16(5)15(4)17-9-10-21-18(20(17)22)12-23-19-8-7-13(2)11-14(19)3;/h7-11H,6,12H2,1-5H3;1H
InChIKeyUJFGFWLLPBDYKA-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.29
Rot. Bonds4

About 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 11695887) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID11695887
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCCn1c(C)c(C)c2ccnc(COc3ccc(C)cc3C)c21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-6-22-16(5)15(4)17-9-10-21-18(20(17)22)12-23-19-8-7-13(2)11-14(19)3;/h7-11H,6,12H2,1-5H3;1H
InChIKeyUJFGFWLLPBDYKA-UHFFFAOYSA-N
XLogP5.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine
CID 11681486
7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11681846
7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
CID 11580015
7-[(2-chlorophenoxy)methyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine;hydrochloride
CID 11674962
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
1-benzyl-7-[(4-chlorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 11690137
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11495715
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (CID 11695887) is 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is CCn1c(C)c(C)c2ccnc(COc3ccc(C)cc3C)c21.Cl.
What is the InChIKey of 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is UJFGFWLLPBDYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-6-22-16(5)15(4)17-9-10-21-18(20(17)22)12-23-19-8-7-13(2)11-14(19)3;/h7-11H,6,12H2,1-5H3;1H.
What are the key properties of 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 11695887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).